2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid

C18H34N2O5 — CID 101284148

IUPAC2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid
SMILESCCC/C=C/CCCCCCC(=O)NCCN(CC(=O)O)C(O)CO
InChIInChI=1S/C18H34N2O5/c1-2-3-4-5-6-7-8-9-10-11-16(22)19-12-13-20(14-18(24)25)17(23)15-21/h4-5,17,21,23H,2-3,6-15H2,1H3,(H,19,22)(H,24,25)/b5-4+
InChIKeyCVUCCCAUNGOVIG-SNAWJCMRSA-N
MW358.48 g/mol
LogP1.50
Rot. Bonds16

About 2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid

2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid (PubChem CID 101284148) has the molecular formula C18H34N2O5 and a molecular weight of 358.48 g/mol. Its IUPAC name is 2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid.

Molecular Properties

Compound Name2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid
PubChem CID101284148
Molecular FormulaC18H34N2O5
Molecular Weight358.48 g/mol
Exact Mass358.25
IUPAC Name2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid
SMILESCCC/C=C/CCCCCCC(=O)NCCN(CC(=O)O)C(O)CO
InChIInChI=1S/C18H34N2O5/c1-2-3-4-5-6-7-8-9-10-11-16(22)19-12-13-20(14-18(24)25)17(23)15-21/h4-5,17,21,23H,2-3,6-15H2,1H3,(H,19,22)(H,24,25)/b5-4+
InChIKeyCVUCCCAUNGOVIG-SNAWJCMRSA-N
XLogP1.50
TPSA110.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 51.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[1,2-dihydroxyethyl-[2-[[(E)-undec-7-enoyl]amino]ethyl]amino]acetic acid
CID 101284138
2-[2-[[(E)-dec-5-enoyl]amino]ethyl-(1,2-dihydroxyethyl)amino]acetic acid
CID 101284128
2-[1,2-dihydroxyethyl-[2-(pentadecanoylamino)ethyl]amino]acetic acid
CID 101284103
2-[1,2-dihydroxyethyl-[2-(non-8-enoylamino)ethyl]amino]acetic acid
CID 101284124
N,N'-bis[(E)-undec-7-enyl]hexanediamide
CID 101279980
N-[2-[bis[2-(octadec-9-enoylamino)ethyl]amino]ethyl]octadec-9-enamide
CID 85077312
2-[2-hydroxyethyl-[1-[[(Z)-octadec-9-enoyl]amino]ethyl]amino]acetic acid
CID 141398298
2-[1-(carboxymethoxy)ethyl-[2-(octanoylamino)ethyl]amino]acetic acid
CID 135345750
N-[2-[[(E)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 172898525
N-[2-[[(Z)-octadec-9-enoyl]amino]ethyl]octadecanamide
CID 58048841
(Z)-but-2-enedioic acid;(Z)-N-(2-hydroxyethyl)octadec-9-enamide
CID 154734676
N-(2-aminoethyl)hexadecanamide;(Z)-docos-13-enoic acid
CID 174758491

Frequently Asked Questions

What is the IUPAC name of 2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid?
The IUPAC name of 2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid (CID 101284148) is 2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid.
What is the SMILES notation for 2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid?
The canonical SMILES for 2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid is CCC/C=C/CCCCCCC(=O)NCCN(CC(=O)O)C(O)CO.
What is the InChIKey of 2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid?
The InChIKey is CVUCCCAUNGOVIG-SNAWJCMRSA-N. The full InChI is InChI=1S/C18H34N2O5/c1-2-3-4-5-6-7-8-9-10-11-16(22)19-12-13-20(14-18(24)25)17(23)15-21/h4-5,17,21,23H,2-3,6-15H2,1H3,(H,19,22)(H,24,25)/b5-4+.
What are the key properties of 2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid?
2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid has a molecular weight of 358.48 g/mol, XLogP of 1.50, 16 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2-dihydroxyethyl-[2-[[(E)-dodec-8-enoyl]amino]ethyl]amino]acetic acid is sourced from PubChem (CID 101284148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).